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Compound Detail

CHEMBL3350962

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CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(I)cc1)NC(=O)[C@@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)CNC)C(C)C)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)O

Basic Information

ChEMBL ID CHEMBL3350962
Phase Preclinical
Structure Type BOTH
InChI Key KEUNEWZNWCDDNU-KOTWUFNXSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

1112.1
MW (Da)

Drug Information

Molecule Type Protein
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C49H70IN13O9
MW 1112.08

Activity Summary

Kd 1 meas. best 6.6

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Oryctolagus cuniculus
CHEMBL374
Kd 6.6 6.6 251.2 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Oryctolagus cuniculus Kd = 251.19 nM 6.6 Antagonist activity pA2, was measured in the in vitro rabbit aorta strip assay 2724307

Literature References

PubMed DOI Target Context # Activities
2724307 10.1021/jm00126a037 Angiotensin II receptor 2
2724307 10.1021/jm00126a037 Oryctolagus cuniculus 1
2724307 10.1021/jm00126a037 Rattus norvegicus 1

Data from ChEMBL 36 via Core Engine